1-Methyl-2-nitroimidazole 1-甲基-2-硝基-1H-咪唑

CAS 1671-82-5 MFCD01721434

化学结构图

1671-82-5
SMILES: Cn1ccnc1[N+](=O)[O-]

化学属性

Mol. FormulaC4H5N3O2
Mol. Weight127.10
Melting Point100-102 °C
Boiling Point235.85 °C at 760 mmHg

别名和识别编码

Chemical Name1-Methyl-2-Nitro-1H-Imidazole
Wiswesser Line NotationT5N CNJ A1 BNW
Synonym 1-Methyl-2-nitro-1H-imidazole {LY} 1-Methyl-2-nitro-1H-imidazole {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2-nitro-1H-
CAS Number1671-82-5
Beilstein Registry Number0607942
InChIKeyHBMINVNVQUDERA-UHFFFAOYSA-N
Chemical Name Translation1-甲基-2-硝基-1H-咪唑
LabNetwork Molecule IDLN02038600
Canonical SMILESO=[N+](C1=NC=CN1C)[O-]
MDL NumberMFCD01721434
PubChem Substance ID15477
InChIInChI=1S/C4H5N3O2/c1-6-3-2-5-4(6)7(8)9/h2-3H,1H3
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安全信息

RTECSNI7500000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 126 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 12,775,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 158 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AACHAX Antimicrobial Agents and Chemotherapy (1961-70).  (Ann Arbor, MI)
   1961-70.  For publisher information, see AMACCQ.  Volume(issue)/page/year:
   -,478,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 126 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AACHAX Antimicrobial Agents and Chemotherapy (1961-70).  (Ann Arbor, MI)
   1961-70.  For publisher information, see AMACCQ.  Volume(issue)/page/year:
   -,478,1965

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 7 ug/plate
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   37,2585,1988

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5 umol/L
REFERENCE :
   BJCSB5 British Journal of Cancer, Supplement.  (Macmillan Press Ltd.,
   Houndmills, Basingstoke, Hants. RG21 2ZS, UK)  No.1-    1973-
   Volume(issue)/page/year: 3,60,1978

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

系列性分类

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